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101167-01-5 | Benzenamine, 5-chloro-N-(1-methylethyl)-2-nitro-
CAS No: 101167-01-5 Catalog No: AG0003VL MDL No:
Product Description
Catalog Number:
AG0003VL
Chemical Name:
Benzenamine, 5-chloro-N-(1-methylethyl)-2-nitro-
CAS Number:
101167-01-5
Molecular Formula:
C9H11ClN2O2
Molecular Weight:
214.6488
IUPAC Name:
5-chloro-2-nitro-N-propan-2-ylaniline
InChI:
InChI=1S/C9H11ClN2O2/c1-6(2)11-8-5-7(10)3-4-9(8)12(13)14/h3-6,11H,1-2H3
InChI Key:
RWVJQUQJUJYZOK-UHFFFAOYSA-N
SMILES:
CC(Nc1cc(Cl)ccc1[N+](=O)[O-])C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.649g/mol
Monoisotopic Mass:
214.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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